2-bromo-3-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide

C15H22BrNO2 — CID 103853593

IUPAC2-bromo-3-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide
SMILESCc1cccc(C(=O)NCCOCCC(C)C)c1Br
InChIInChI=1S/C15H22BrNO2/c1-11(2)7-9-19-10-8-17-15(18)13-6-4-5-12(3)14(13)16/h4-6,11H,7-10H2,1-3H3,(H,17,18)
InChIKeyBEAJPKQQCYSGTA-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.55
Rot. Bonds7

About 2-bromo-3-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide

2-bromo-3-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide (PubChem CID 103853593) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 2-bromo-3-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-3-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide
PubChem CID103853593
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name2-bromo-3-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide
SMILESCc1cccc(C(=O)NCCOCCC(C)C)c1Br
InChIInChI=1S/C15H22BrNO2/c1-11(2)7-9-19-10-8-17-15(18)13-6-4-5-12(3)14(13)16/h4-6,11H,7-10H2,1-3H3,(H,17,18)
InChIKeyBEAJPKQQCYSGTA-UHFFFAOYSA-N
XLogP3.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-bromo-3-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-2-chloro-N-[2-(3-methylbutoxy)ethyl]benzamide
CID 103989334
2-bromo-N-[3-(2-methoxyethoxy)propyl]-3-methylbenzamide
CID 103852955
4-[(2-bromo-3-methylbenzoyl)amino]-2-methylbutanoic acid
CID 114023739
2-amino-5-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide
CID 62508898
N-[2-(2-bromoethoxy)ethyl]-2-hydroxy-3-methylbenzamide
CID 114309468
N-[2-(3-methylbutoxy)ethyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558476
2-bromo-3-methyl-N-(2-methylsulfanylpropyl)benzamide
CID 103855530
2-bromo-3-methyl-N-[2-(propylamino)ethyl]benzamide
CID 107983088
N-[2-(3-methylbutoxy)ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 62215094
2-bromo-N-(3-chloro-2-methylpropyl)-3-methylbenzamide
CID 107983962
2-iodo-N-[2-(2-methoxyethoxy)ethyl]-3-methylbenzamide
CID 113223555
2-[(2-bromo-3-methylbenzoyl)amino]acetic acid
CID 106703070

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide?
The IUPAC name of 2-bromo-3-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide (CID 103853593) is 2-bromo-3-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide.
What is the SMILES notation for 2-bromo-3-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide?
The canonical SMILES for 2-bromo-3-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide is Cc1cccc(C(=O)NCCOCCC(C)C)c1Br.
What is the InChIKey of 2-bromo-3-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide?
The InChIKey is BEAJPKQQCYSGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-11(2)7-9-19-10-8-17-15(18)13-6-4-5-12(3)14(13)16/h4-6,11H,7-10H2,1-3H3,(H,17,18).
What are the key properties of 2-bromo-3-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide?
2-bromo-3-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide has a molecular weight of 328.25 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide is sourced from PubChem (CID 103853593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).